2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid

C13H16N2O4 — CID 79848236

IUPAC2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCOc1ncccc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C13H16N2O4/c1-19-12-9(4-2-7-14-12)11(18)15-13(5-3-6-13)8-10(16)17/h2,4,7H,3,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyPRRZQYQGGGMQSB-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.22
Rot. Bonds5

About 2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79848236) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID79848236
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCOc1ncccc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C13H16N2O4/c1-19-12-9(4-2-7-14-12)11(18)15-13(5-3-6-13)8-10(16)17/h2,4,7H,3,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyPRRZQYQGGGMQSB-UHFFFAOYSA-N
XLogP1.22
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
2-[1-[(2-hydroxy-3-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672584
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
CID 64700190
N-[1-(4-fluorophenyl)cyclopentyl]-2-methoxypyridine-3-carboxamide
CID 60589118
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
N-[[1-(ethoxymethyl)cyclobutyl]methyl]-2-methoxypyridine-3-carboxamide
CID 122556668
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113313670

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid (CID 79848236) is 2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid is COc1ncccc1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is PRRZQYQGGGMQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-12-9(4-2-7-14-12)11(18)15-13(5-3-6-13)8-10(16)17/h2,4,7H,3,5-6,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxypyridine-3-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79848236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).